UCSF

ZINC36996314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 6.72 -31.13 2 3 1 29 280.461 3
Lo Low (pH 4.5-6) 2.21 5.76 -30.2 2 3 1 33 280.461 3
Lo Low (pH 4.5-6) 2.21 8.02 -100.94 3 3 2 34 281.469 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )